Compiliation of CRYSTAL 17 on Apple Silicon

JackClegg

Dear All,

I'm looking at upgrading to crystal23 but in the meantime has anyone had success in compiling from objects on an apple silicon system? I was thinking of using brew installed openmpi.

Does anyone have a suitable include file?

Jack

GiacomoAmbrogio

Hi Jack,
compiling from objects on Apple Silicon is possible, but there are two critical requirements:

You must use OpenMPI built with the same GNU Fortran version used to compile the object files (in particular gfortran 12.1)
You must use the MPI compiler wrappers (mpif90, mpicc, mpicxx) instead of the plain compilers for the final linking stage

The default include file is almost correct. The only necessary changes are the compiler definitions. Replace the first lines with:

F90     = mpif90
LD      = $(F90)
PLD     = mpif90

Keep the rest unchanged.

Important notes

The OpenMPI you use must be built against gfortran 12.1. You can check with:

mpif90 --show

or

mpif90 --version

and verify that it points to gfortran-12.

Do not mix different GNU Fortran versions (e.g. gfortran 13 or Apple clang).
A mismatch here is the most common cause of runtime failures.